8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one

C10H7N5O — CID 135567114

IUPAC8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cccn3)nccc12
InChIInChI=1S/C10H7N5O/c16-10-7-2-4-11-9(8(7)12-6-13-10)15-5-1-3-14-15/h1-6H,(H,12,13,16)
InChIKeyZHUSZSJWZKLCNB-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.50
Rot. Bonds1

About 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one

8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567114) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567114
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cccn3)nccc12
InChIInChI=1S/C10H7N5O/c16-10-7-2-4-11-9(8(7)12-6-13-10)15-5-1-3-14-15/h1-6H,(H,12,13,16)
InChIKeyZHUSZSJWZKLCNB-UHFFFAOYSA-N
XLogP0.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567114) is 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cccn3)nccc12.
What is the InChIKey of 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZHUSZSJWZKLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-7-2-4-11-9(8(7)12-6-13-10)15-5-1-3-14-15/h1-6H,(H,12,13,16).
What are the key properties of 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 213.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).